Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
TL;DR: Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- (CAS 141985-40-2) is a chemical compound with molecular formula C13H15N5O7 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]butanoic acid
Also Known As: Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-, 4-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]butanoic acid, 4-({1,3-dimethyl-6-nitro-2,4,5-trioxo-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidin-7-yl}amino)butanoic acid, 4-[(1,3-Dimethyl-6-nitro-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-yl)amino]butanoic acid, 4-[[[1,2,3,4,5,8-Hexahydro-1,3-dimethyl-2,4,5-trioxo-6-nitropyrido[2,3-d]pyrimidin]-7-yl]amino]butanoic acid
| Molecular Formula | C13H15N5O7 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | -0.8896 |
| Topological Polar Surface Area | 169.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.09714 |
| Heavy Atoms | 25 |
| Complexity | 1045.8749 |
Chemical Identifiers
| CAS Number | 141985-40-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)C(=C(N2)NCCCC(=O)O)[N+](=O)[O-])C(=O)N(C1=O)C |
Product Overview
Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- (CAS 141985-40-2), with molecular formula C13H15N5O7 and molecular weight 353.10 g/mol. IUPAC: 4-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]butanoic acid.
Chemical Property Profile of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
Property Insights of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
The XLogP value of -0.8896 indicates that Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.33 Ų indicates high polarity, suggesting Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
The CAS number of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is 141985-40-2.
What is the molecular formula of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
The molecular formula of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is C13H15N5O7.
What is the molecular weight of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
The molecular weight of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- is 353.10 g/mol.
Where can I buy Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
You can request a quote for Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.